SCHEMBL20162199

SCHEMBL20162199

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-n2c(=O)n(C)c3cc(Cl)ccc32)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.38
EGFR P00533 8/20 0.36
MKNK2 Q9HBH9 1/20 0.34
SCN9A Q15858 2/20 0.33
FGFR4 P22455 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
PIK3CA P42336 1/20 0.33
PRKDC P78527 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30011351 1.00 KDR (0.38) KDREGFRMKNK2SCN9AFGFR4
SCHEMBL18386961 0.92 KDR (0.39) KDREGFRMKNK2PIK3CAPRKDC
SCHEMBL20162215 0.90 KDR (0.38) KDREGFRMKNK2SCN9APIK3CA
SCHEMBL30011737 0.90 KDR (0.38) KDREGFRMKNK2SCN9APIK3CA
SCHEMBL18387037 0.90 EGFR (0.39) KDREGFRMKNK2PIK3CAPRKDC
SCHEMBL20162196 0.86 EGFR (0.47) KDREGFR
SCHEMBL30011521 0.86 EGFR (0.47) KDREGFR
SCHEMBL20162213 0.84 EGFR (0.38) KDREGFRSCN9A
SCHEMBL30012138 0.84 EGFR (0.38) KDREGFRSCN9A
SCHEMBL20162208 0.82 EGFR (0.36) KDREGFRSCN9APIK3CAPRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-06-25 US disclosed
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-06-25 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 US disclosed
EP-3323817-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-05-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF EGFR, ERBB2, ERBB3 KDR 44/4885EGFR 1/4885MKNK2 1175/4885
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity EGFR, ERBB2, ERBB3 KDR 12/4885EGFR 1/4885MKNK2 501/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.